4-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]-pyrrolidin-1-yl-methyl]benzenecarbonitrile

Systemtic Name: 4-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]-pyrrolidin-1-yl-methyl]benzenecarbonitrile Openeye Name: 4-[(1-benzyltetrazol-5-yl)-pyrrolidin-1-yl-methyl]benzonitrile CAS Name: 4-[[1-(phenylmethyl)-5-tetrazolyl]-(1-pyrrolidinyl)methyl]benzonitrile IUPAC Name: 4-[(1-benzyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]benzonitrile Traditional Name: 4-[(1-benzyltetrazol-5-yl)-pyrrolidino-methyl]benzonitrile Formula: C20H20N6 MolecularWeight: 344.413

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(C2=CC=C(C=C2)C#N)C3=NN=NN3CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(C2=CC=C(C=C2)C#N)C3=NN=NN3CC4=CC=CC=C4

InChI

InChI=1S/C20H20N6/c21-14-16-8-10-18(11-9-16)19(25-12-4-5-13-25)20-22-23-24-26(20)15-17-6-2-1-3-7-17/h1-3,6-11,19H,4-5,12-13,15H2